CID 5272640

3-acetyl-2-(4-chlorophenyl)chromen-4-one

Structural Information

Molecular Formula
C17H11ClO3
SMILES
CC(=O)C1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H11ClO3/c1-10(19)15-16(20)13-4-2-3-5-14(13)21-17(15)11-6-8-12(18)9-7-11/h2-9H,1H3
InChIKey
BXPDUZDGQIPTCQ-UHFFFAOYSA-N
Compound name
3-acetyl-2-(4-chlorophenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.03967 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04695 163.4
[M+Na]+ 321.02889 174.9
[M-H]- 297.03239 172.6
[M+NH4]+ 316.07349 179.5
[M+K]+ 337.00283 170.3
[M+H-H2O]+ 281.03693 156.5
[M+HCOO]- 343.03787 181.0
[M+CH3COO]- 357.05352 176.8
[M+Na-2H]- 319.01434 169.2
[M]+ 298.03912 169.1
[M]- 298.04022 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.